N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

C19H21N5O4S2 — CID 164738723

About N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 164738723) has the molecular formula C19H21N5O4S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
• PubChem CID: 164738723
• Molecular Formula: C19H21N5O4S2
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.10
• IUPAC Name: N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
• SMILES: COCCNc1ncc(C(=O)Nc2nc3c(OC)ncc(C4=CCOCC4)c3s2)s1
• InChI: InChI=1S/C19H21N5O4S2/c1-26-8-5-20-18-22-10-13(29-18)16(25)24-19-23-14-15(30-19)12(9-21-17(14)27-2)11-3-6-28-7-4-11/h3,9-10H,4-8H2,1-2H3,(H,20,22)(H,23,24,25)
• InChIKey: KDJZBARACAHXCF-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 107.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (CID 164738723) is N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is COCCNc1ncc(C(=O)Nc2nc3c(OC)ncc(C4=CCOCC4)c3s2)s1.

What is the InChIKey of N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?

The InChIKey is KDJZBARACAHXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S2/c1-26-8-5-20-18-22-10-13(29-18)16(25)24-19-23-14-15(30-19)12(9-21-17(14)27-2)11-3-6-28-7-4-11/h3,9-10H,4-8H2,1-2H3,(H,20,22)(H,23,24,25).

What are the key properties of N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?

N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164738723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).